(4S)-4-amino-5-cyclohexyl-1-(diethylamino)pentane-2,3-diol

C15H32N2O2 — CID 22844606

IUPAC(4S)-4-amino-5-cyclohexyl-1-(diethylamino)pentane-2,3-diol
SMILESCCN(CC)CC(O)C(O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C15H32N2O2/c1-3-17(4-2)11-14(18)15(19)13(16)10-12-8-6-5-7-9-12/h12-15,18-19H,3-11,16H2,1-2H3/t13-,14?,15?/m0/s1
InChIKeyWMIKCFTZKNKFMK-NFOMZHRRSA-N
MW272.43 g/mol
LogP1.35
Rot. Bonds8

About (4S)-4-amino-5-cyclohexyl-1-(diethylamino)pentane-2,3-diol

(4S)-4-amino-5-cyclohexyl-1-(diethylamino)pentane-2,3-diol (PubChem CID 22844606) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is (4S)-4-amino-5-cyclohexyl-1-(diethylamino)pentane-2,3-diol.

Molecular Properties

Compound Name(4S)-4-amino-5-cyclohexyl-1-(diethylamino)pentane-2,3-diol
PubChem CID22844606
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name(4S)-4-amino-5-cyclohexyl-1-(diethylamino)pentane-2,3-diol
SMILESCCN(CC)CC(O)C(O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C15H32N2O2/c1-3-17(4-2)11-14(18)15(19)13(16)10-12-8-6-5-7-9-12/h12-15,18-19H,3-11,16H2,1-2H3/t13-,14?,15?/m0/s1
InChIKeyWMIKCFTZKNKFMK-NFOMZHRRSA-N
XLogP1.35
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-cyclohexyl-1-(diethylamino)pentane-2,3-diol?
The IUPAC name of (4S)-4-amino-5-cyclohexyl-1-(diethylamino)pentane-2,3-diol (CID 22844606) is (4S)-4-amino-5-cyclohexyl-1-(diethylamino)pentane-2,3-diol.
What is the SMILES notation for (4S)-4-amino-5-cyclohexyl-1-(diethylamino)pentane-2,3-diol?
The canonical SMILES for (4S)-4-amino-5-cyclohexyl-1-(diethylamino)pentane-2,3-diol is CCN(CC)CC(O)C(O)[C@@H](N)CC1CCCCC1.
What is the InChIKey of (4S)-4-amino-5-cyclohexyl-1-(diethylamino)pentane-2,3-diol?
The InChIKey is WMIKCFTZKNKFMK-NFOMZHRRSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-3-17(4-2)11-14(18)15(19)13(16)10-12-8-6-5-7-9-12/h12-15,18-19H,3-11,16H2,1-2H3/t13-,14?,15?/m0/s1.
What are the key properties of (4S)-4-amino-5-cyclohexyl-1-(diethylamino)pentane-2,3-diol?
(4S)-4-amino-5-cyclohexyl-1-(diethylamino)pentane-2,3-diol has a molecular weight of 272.43 g/mol, XLogP of 1.35, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-cyclohexyl-1-(diethylamino)pentane-2,3-diol is sourced from PubChem (CID 22844606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).